N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide

C18H18N2O5 — CID 6906728

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccccc1/C=N/OCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O5/c1-22-15-5-3-2-4-14(15)10-20-25-11-18(21)19-9-13-6-7-16-17(8-13)24-12-23-16/h2-8,10H,9,11-12H2,1H3,(H,19,21)/b20-10+
InChIKeyDLRWBLHRANXCNR-KEBDBYFISA-N
MW342.35 g/mol
LogP2.09
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 6906728) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide
PubChem CID6906728
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccccc1/C=N/OCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O5/c1-22-15-5-3-2-4-14(15)10-20-25-11-18(21)19-9-13-6-7-16-17(8-13)24-12-23-16/h2-8,10H,9,11-12H2,1H3,(H,19,21)/b20-10+
InChIKeyDLRWBLHRANXCNR-KEBDBYFISA-N
XLogP2.09
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide (CID 6906728) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide is COc1ccccc1/C=N/OCC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is DLRWBLHRANXCNR-KEBDBYFISA-N. The full InChI is InChI=1S/C18H18N2O5/c1-22-15-5-3-2-4-14(15)10-20-25-11-18(21)19-9-13-6-7-16-17(8-13)24-12-23-16/h2-8,10H,9,11-12H2,1H3,(H,19,21)/b20-10+.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 342.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 6906728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).